4-(2-methyloxolan-3-yl)sulfonylpentan-2-one

C10H18O4S — CID 107764075

IUPAC4-(2-methyloxolan-3-yl)sulfonylpentan-2-one
SMILESCC(=O)CC(C)S(=O)(=O)C1CCOC1C
InChIInChI=1S/C10H18O4S/c1-7(11)6-8(2)15(12,13)10-4-5-14-9(10)3/h8-10H,4-6H2,1-3H3
InChIKeyHPCFACYEDVOGIR-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.95
Rot. Bonds4

About 4-(2-methyloxolan-3-yl)sulfonylpentan-2-one

4-(2-methyloxolan-3-yl)sulfonylpentan-2-one (PubChem CID 107764075) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(2-methyloxolan-3-yl)sulfonylpentan-2-one.

Molecular Properties

Compound Name4-(2-methyloxolan-3-yl)sulfonylpentan-2-one
PubChem CID107764075
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name4-(2-methyloxolan-3-yl)sulfonylpentan-2-one
SMILESCC(=O)CC(C)S(=O)(=O)C1CCOC1C
InChIInChI=1S/C10H18O4S/c1-7(11)6-8(2)15(12,13)10-4-5-14-9(10)3/h8-10H,4-6H2,1-3H3
InChIKeyHPCFACYEDVOGIR-UHFFFAOYSA-N
XLogP0.95
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloxolan-3-yl)sulfonylpentan-2-one?
The IUPAC name of 4-(2-methyloxolan-3-yl)sulfonylpentan-2-one (CID 107764075) is 4-(2-methyloxolan-3-yl)sulfonylpentan-2-one.
What is the SMILES notation for 4-(2-methyloxolan-3-yl)sulfonylpentan-2-one?
The canonical SMILES for 4-(2-methyloxolan-3-yl)sulfonylpentan-2-one is CC(=O)CC(C)S(=O)(=O)C1CCOC1C.
What is the InChIKey of 4-(2-methyloxolan-3-yl)sulfonylpentan-2-one?
The InChIKey is HPCFACYEDVOGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-7(11)6-8(2)15(12,13)10-4-5-14-9(10)3/h8-10H,4-6H2,1-3H3.
What are the key properties of 4-(2-methyloxolan-3-yl)sulfonylpentan-2-one?
4-(2-methyloxolan-3-yl)sulfonylpentan-2-one has a molecular weight of 234.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloxolan-3-yl)sulfonylpentan-2-one is sourced from PubChem (CID 107764075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).